Basic information
- Standard SMILES
O=C(c1ccc2c(c1)CCO2)N1CCN(c2nccs2)CC1- InChIKey
AMRLZZNKKPTGEW-UHFFFAOYSA-N- Molecular formula
- C16H17N3O2S
- Average molar mass
- 315.4 g/mol
Names & identifiers
- Preferred name
- 1-(5-Coumaranyl carbonyl)-4-(2-thiazolyl) piperazine
- IUPAC
- 2,3-dihydro-1-benzofuran-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
Names & synonyms
AMRLZZNKKPTGEW-UHFFFAOYSA-NAKOS0342047681-(5-coumaranyl carbonyl)-4-(2-thiazolyl) piperazineZ336744232
Database identifiers
- PubChem CID
- 39106923
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 414
Related reactions
1 records
Compound notes
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